[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-methyl-3,5-dinitro-benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H11N3O9 MolecularWeight: 389.27324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O9/c1-9-13(6-12(18(24)25)7-14(9)19(26)27)16(21)28-8-15(20)10-3-2-4-11(5-10)17(22)23/h2-7H,8H2,1H3